MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004158
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004158
RECORD_TITLE: 6-HYDROXY-N-OCTYLHEXANAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 6-HYDROXY-N-OCTYLHEXANAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H29NO2
CH$EXACT_MASS: 243.21983
CH$SMILES: CCCCCCCCNC(=O)CCCCCO
CH$IUPAC: InChI=1S/C14H29NO2/c1-2-3-4-5-6-9-12-15-14(17)11-8-7-10-13-16/h16H,2-13H2,1H3,(H,15,17)
CH$LINK: INCHIKEY
CZALATPPVHTDBF-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6E
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-007o-9510000000-0d831b1845a21dcd6e95
PK$NUM_PEAK: 151
PK$PEAK: m/z int. rel.int.
26 1.1 11
27 20.8 208
28 14 140
29 4.2 42
30 95.2 952
31 32 320
32 1 10
38 0.03 0
39 16 160
40 3.1 31
41 97.2 972
42 2.28 23
43 76.8 768
44 63.2 632
45 9.6 96
46 0.1 1
50 0.1 1
51 0.6 6
52 4 40
53 0.51 5
54 6.1 61
55 60.8 608
56 18 180
57 4.84 48
58 26 260
59 6.7 67
60 14 140
61 0.02 0
65 0.9 9
66 0.6 6
67 12 120
68 0.48 5
69 99.99 999
70 17.4 174
71 26.4 264
72 3.2 32
73 85.2 852
74 5 50
75 0.4 4
76 0.04 0
77 0.4 4
78 0.3 3
79 9.2 92
80 0.14 1
81 2 20
82 2.1 21
83 5.4 54
84 1.38 14
85 6.1 61
86 53.2 532
87 36.8 368
88 0.2 2
89 0.2 2
93 0.3 3
94 0.3 3
95 0.1 1
96 1.8 18
97 46.8 468
98 12 120
99 0.43 4
100 50 500
101 35.6 356
102 3 30
103 0.04 0
108 0.1 1
109 0.6 6
110 0.8 8
111 0.07 1
112 5 50
113 2.6 26
114 52.8 528
115 5.92 59
116 5 50
117 0.8 8
118 0.1 1
123 0.02 0
124 0.3 3
125 0.5 5
126 5.5 55
127 1.28 13
128 30.4 304
129 10 100
130 10.4 104
131 0.09 1
132 1 10
138 0.4 4
139 0.5 5
140 0.61 6
141 3.7 37
142 16.4 164
143 4.1 41
144 0.34 3
145 42 420
146 3.5 35
147 0.3 3
148 0.01 0
149 0.6 6
153 0.2 2
154 14 140
155 0.38 4
156 34 340
157 4.3 43
158 18 180
159 0.35 4
160 0.3 3
167 0.1 1
168 5.3 53
169 0.25 3
170 2.4 24
171 77.6 776
172 36 360
173 0.67 7
174 0.6 6
175 0.1 1
181 0.1 1
182 0.41 4
183 1.6 16
184 58.4 584
185 7 70
186 2.2 22
187 4 40
188 0.2 2
196 4 40
197 0.07 1
198 12 120
199 3.1 31
200 13 130
201 0.44 4
202 0.7 7
210 1.9 19
211 0.3 3
212 0.84 8
213 5.6 56
214 13 130
215 2.5 25
216 0.13 1
217 0.2 2
224 1 10
225 4.1 41
226 0.6 6
227 1.7 17
228 4.5 45
229 0.8 8
230 0.02 0
241 0.8 8
242 0.4 4
243 38 380
244 7.48 75
245 14.8 148
246 1.3 13
247 0.1 1
//
system version 2.2.6-SNAPSHOT